ethyl 4-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2,5-diphenyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2,5-diphenyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2,5-diphenyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-diphenyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-diphenylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2,5-diphenyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C35H27N3O3 MolecularWeight: 537.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H27N3O3/c1-2-41-35(40)27-18-20-31(21-19-27)38-32(25-12-6-3-7-13-25)23-28(33(38)26-14-8-4-9-15-26)22-29(24-36)34(39)37-30-16-10-5-11-17-30/h3-23H,2H2,1H3,(H,37,39)